Simelys Hernández

Simelys Hernández
Politecnico di Torino | polito · DISAT - Department of Applied Science and Technology

Ph.D. in Chemical Engineering

About

104
Publications
17,182
Reads
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3,174
Citations
Citations since 2016
67 Research Items
2825 Citations
20162017201820192020202120220100200300400500600
20162017201820192020202120220100200300400500600
20162017201820192020202120220100200300400500600
20162017201820192020202120220100200300400500600
Introduction
My research is devoted to the development of Novel Sustainable Photo-Electro-Chemical Processes for the capture and conversion of the CO2 from lab-scale (TRL2/3) to Pilot scale (TRL5/6). I'm technical coordinator of the EU H2020 project SunCoChem, principal investigator of the H2020 project OCEAN, vice-coordinator of the EU H2020 project RECODE and I worked in the coordination and scientific teams of the EU Projects (CELBICON, SOLHYDROMICS, ArtipHyction and ECO2CO2).
Additional affiliations
January 2010 - December 2015
Istituto Italiano di Tecnologia
Position
  • Post Doc Senior
Description
  • Research of innovative systems for energy production and storage. Development of photo-electrochemical reactors, and testing of catalysts for photo-induced water oxidation and H2 production. Research projects within EU and National collaborations.

Publications

Publications (104)
Article
Full-text available
This study presents the immobilization with aldehyde groups (glyoxyl carbon felt) of alcohol dehydrogenase (ADH) and formate dehydrogenase (FDH) on carbon‐felt‐based electrodes. The compatibility of the immobilization method with the electrochemical application was studied with the ADH bioelectrode. The electrochemical regeneration process of nicot...
Article
Full-text available
The electrocatalytic reduction of 5‐hydroxymethylfurfural (HMF) is highly selective to 2,5‐bishydroxymethylfuran (BHMF) at pH = 9.2, diluted HMF solutions, and low current densities. In this work, we investigate the electrochemical reduction of 0.05 M HMF solutions in the 5 to 50 mA cm ‐2 current density range over an AgCu foam electrocatalyst. The...
Article
Full-text available
The development of efficient catalysts is one of the main challenges in CO2 conversion to valuable chemicals and fuels. Herein, inspired by the knowledge of the thermocatalytic (TC) processes, Cu/ZnO and bare Cu catalysts enriched with Cu⁺¹ were studied to convert CO2 via the electrocatalytic (EC) pathway. Integrating Cu with ZnO (a CO-generation c...
Article
Full-text available
Inspired by the knowledge of the thermocatalytic CO2 reduction process, novel nanocrystalline CuZnAl-oxide based catalysts with pyramidal mesoporous structures are here proposed for the CO2 electrochemical reduction under ambient conditions. The XPS analyses revealed that the co-presence of ZnO and Al2O3 into the Cu-based catalyst stabilize the CuO...
Article
Full-text available
The electrochemical reduction of CO2 to value‐added products like formate represents a promising technology for the valorization of carbon dioxide. We propose a proof‐of‐concept bioelectrochemical system (BES) for the reduction of CO2 to formate. For the first time, our device employs a nanostructured titanium nitride (TiN) support for the immobili...
Article
Full-text available
The electrochemical transformation of biomass-derived compounds (e.g., aldehyde electroreduction to alcohols) is gaining increasing interest due to the sustainability of this process that can be exploited to produce value-added products from biowastes and renewable electricity. In this framework, the electrochemical conversion of 5-hydroxymethylfur...
Article
Full-text available
Electrochemical CO2 reduction is a promising carbon capture and utilisation technology. Herein, a continuous flow gas diffusion electrode (GDE)-cell configuration has been studied to convert CO2 via electrochemical reduction under atmospheric conditions. To this purpose, Cu-based electrocatalysts immobilised on a porous and conductive GDE have been...
Article
This work reports the study of ZnO-based anodes for the photoelectrochemical regeneration of the oxidized form of nicotinamide adenine dinucleotide (NAD+). The latter is the most important coenzyme for dehydrogenases. However, the high costs of NAD+ limit the use of such enzymes at the industrial level. The influence of the ZnO morphologies (flower...
Article
Full-text available
Developing efficient technologies to decrease CO2 emissions and dealing with the issues of climate change are among the most important challenges in worldwide research. This review discusses of the most recent advances on the electrochemical transformation of CO2 to alcohols, mainly methanol, ethanol and n-propanol, as a promising way to produce re...
Article
Full-text available
High level of atmospheric carbon dioxide (CO2) concentration is considered one of the main causes of global warming. Electrochemical conversion of CO2 into valuable chemicals and fuels has promising potential to be implemented into practical and sustainable devices. In order to efficiently realize this strategy, one of the biggest efforts has been...
Article
In this study, the adsorption capacity of the low-cost zeolite clinoptilolite was investigated for capturing carbon dioxide (CO2) emitted from industrial processes at moderate temperature. The CO2 adsorption capacity of clinoptilolite (a commercial natural zeolite) and ion-exchanged (with Na⁺ and Ca²⁺) clinoptilolite were tested under both dynamic...
Article
Electrocatalytic (EC) and thermocatalytic (TC) conversion of CO2 to methanol are promising carbon capture and utilization technologies. Herein, these CO2-to-methanol conversion processes are analysed in terms of technical, environmental and economic feasibility. To this purpose, the catalytic performance of the same catalyst (CuO/ZnO/Al2O3) was eva...
Article
Full-text available
A new dinuclear uranyl salen coordination compound, [(UO 2) 2 (L) 2 ]·2MeCN [L = 6,6'-((1E,1'E)-((2,2-di-methylpropane-1,3-diyl)bis(azaneylylidene))-bis(methaneylylidene))bis(2-methoxyphenol)], was synthesized using a multifunctional salen ligand to harvest visible light for the selective photocatalytic reduction of CO 2 to MeOH. The assembling of...
Poster
Full-text available
Guest Editors: Dr. Juqin Zeng, Prof. Dr. Fabrizio Pirri, Dr. Adriano Sacco, Dr. Wenbo Ju, Prof. Dr. Simelys Hernandez Deadline: 31 March 2021
Preprint
In this study, the adsorption capacity of the natural zeolite clinoptilolite for capturing carbon dioxide (CO2) emitted from different sources is investigated. The aim of this work is to introduce a low-cost zeolite with a high CO2 loading capacity to be applied directly to CO2 streams from industrial processes with moderate outlet temperatures (i....
Article
Full-text available
Bismuth vanadate (BiVO4) have surface states that give rise to defect levels that mediate electron-hole recombination. In order to minimize the inefficiencies, an ultrathin Al overlayer was deposited on the BiVO4 electrodes. A 54% improvement on the photocurrent density was obtained using the Al- modified BiVO4 electrode, accompanied by a 15% incre...
Article
The discovery of novel catalytic materials showing unprecedented properties and improved functionalities represents a major challenge to design advanced oxidation processes for wastewater purification. In this work, antimony (Sb) doping is proposed as a powerful approach for enhancing the photo- and piezocatalytic performances of piezoelectric zinc...
Article
Full-text available
Solutions of biobased ionic liquids (ILs) for recovering CO2 from industrial flue gas are investigated. Four CO2 task‐specific choline‐based amino acids ([Cho][AA]): Alanine, Glycine, and, for the first time, Proline and Serine are tested. The drawbacks related to the high viscosity of these ILs are limited by applying dimethyl sulfoxide (DMSO) as...
Article
Copper (Cu)‐based materials for efficient CO 2 conversion to adjustable syngas are reported. We employ an energy‐efficient microwave‐assisted route to synthesize copper/copper oxides with different structures and morphologies. The initial oxidation state of the copper on the surface significantly influences the performance of the materials in the C...
Article
Full-text available
In this work, the synthesis of cheap BiVO4 photoanodes for the photoelectrochemical water splitting reaction was optimized via the scalable thin film electrodeposition method. Factors affecting the photoelectrochemical activity, such as the electrodeposition time, the ratio of the Bi-KI to benzoquinone-EtOH in the deposition bath, and the calcinati...
Article
Huge efforts have been done in the last years on electrochemical and photoelectrochemical reduction of CO 2 to offer a sustainable route to recycle CO 2 . A promising route is to electrochemically reduce CO 2 into CO which, by combination with hydrogen, can be used as a feedstock to different added-value products or fuels. Herein, perpendicular ori...
Article
Full-text available
In this paper we present an easy, quick and scalable route, based on anodic oxidation, for the preparation of mesoporous SnO2 as an efficient electrocatalyst for the CO2 reduction reaction (CO2RR). Crystallographically interconnected SnO2 nanocrystals with abundant grain boundaries, high specific surface area and easily accessible porosity result t...
Article
Full-text available
TiO2 nanoparticles containing 0.0, 1.0, 5.0, and 10.0 wt.% Mo were prepared by a reverse micelle template assisted sol–gel method allowing the dispersion of Mo atoms in the TiO2 matrix. Their textural and surface properties were characterized by means of X-ray powder diffraction, micro-Raman spectroscopy, N2 adsorption/desorption isotherms at −196...
Chapter
This chapter discusses the most promising visible light-responsive inorganic catalysts for the oxidation reaction in photoelectrochemical water splitting. It starts by introducing the field of solar fuels and solar water oxidation reaction, and then identifies the key challenges to perform this reaction. It then explains extensively the different b...
Chapter
An overview of the different sacrificial oxidants used in literature is reported, paying particular attention to the “sacrificial pair” \(\text{Ru}(\text{bpy})_{3}^{2 + } \text{/S}_{2} \text{O}_{8}^{2 - }\), a photosystem made of a Ru-dye (Tris(bipyridine)ruthenium(II) dichloride, working as “antenna” for visible light) and a final electron accepto...
Chapter
This chapter focuses on some aspects concerning the realization of an actually sustainable H2 production, and especially the need for earth abundant, environmental friendly, solar driven heterogeneous catalysis for the Water Oxidation reaction: the catalyst shall be thermodynamically and mechanically stable to allow cyclic long-term operations. The...
Chapter
In actual water splitting devices, the WOC will be deposited on an anode surface. Therefore, whatever the results obtained with WOC particles suspended in stirrer tank reactors, it becomes necessary to study WOC performances by means of electrochemical experimental setups. The WOCs deposition on an anode will depend on their physico-chemical nature...
Chapter
This chapter will cover the most important aspects concerning the water splitting reaction by providing an overall description of the main solutions, as reported in the literature, addressing the improvement of the efficiency of solar driven hydrogen production. The natural water splitting system will be considered as a starting point, in order to...
Chapter
This chapter will address the main issues related to the scaling up of a WS process. Currently, only few examples of pilot-scale water splitting (WS) devices are available in literature: low efficiencies and high costs are the main aspects that limit the use of this technology at industrial level, since results obtained at lab-scale are difficult t...
Chapter
In the current chapter, the use of a bubbling reactor for investigating the activity of different manganese oxides (i.e. Mn2O3, Mn3O4 and MnO2) is described. The most important aspects of water oxidation reaction considered are the role of the catalyst specific surface area (SSA), and the effect of the irradiance on the \({\text{Ru}} ({\text{bpy}})...
Book
This book offers comprehensive information on the main techniques for measuring water-oxidation-catalyst (WOC) performance, with a particular focus on the combined use of sacrificial oxidants and dyes within closed-batch reactors. It provides an overview of the latest advances in the synthesis of more efficient WOCs, followed by an analysis of the...
Article
Full-text available
In this work, it is proposed an environmental friendly sonophotocatalytic approach to efficiently treat polluted waters from industrial dyes exploiting ZnO micro- and nano-materials. For the first time, we deeply investigated the generation of reactive oxygen species (ROS) under ultrasound stimulation of different ZnO structures by Electron Paramag...
Article
In this work, nanostructured rare-earth-doped zirconia was successfully synthesized, through a simple hydrothermal method, with a rare-earth oxide (REO)-based content varying from 0.5 to 5% molar (REO = CeO2; Er2O3). The samples were characterized by using several techniques, such as X-ray diffraction, transmission electron microscopy, X-ray photoe...
Article
Full-text available
In the present work, the activity of Ce and Er-doped ZrO2 nanopowders for sun-driven photocatalytic water oxidation has been investigated. ZrO2 powders with tunable amounts of tetragonal, monoclinic and cubic polymorphs have been synthesized by introducing Ce and Er (from 0.5 to 10 mol % on an oxide basis) through hydrothermal method. The aim of th...
Article
You can download the final version of this paper until September 17th, 2018, from the link: https://authors.elsevier.com/c/1XTFQ33-eDTjP
Article
A tin-modified copper foam for the efficient and selective reduction of CO2 to CO is reported. We employ a cost-efficient electrodeposition route to form a three-dimensional porous dendrite architecture, in which each dendrite possesses a copper core and a copper oxide/tin oxide shell. The sparse tin species on the electrode surface play a key role...
Article
A simple synthesis route is presented to obtain single BiFeO3 and mixed BiFeO3/Fe2O3/Bi2Fe4O9 photocatalysts. The obtained samples were characterized to analyze their structural, magnetic, optical and physical–chemical properties. The role of additional phases, i.e. Bi2Fe4O9 and Fe2O3 in the BiFeO3 structure, was analyzed by investigating sunlight-...
Article
Full-text available
Low-cost manganese oxide, MnOx-based electrocatalysts, containing α-MnO2 and mixed α-Mn2O3/α-MnO2 phases, were synthesized by scalable anodic and cathodic electrodeposition methods, respectively. Their morphological and chemical composition were characterized by means of Field Emission Scanning Electronic Microscopy (FESEM), X-Ray Diffraction (XRD)...
Article
A simple, solvent-free and scalable route for the synthesis of nanostructured Bi5O7NO3 and Bi2O3 polymorphs photocatalysts and their heterostructures is here presented. Morphology, porosity and crystal phases were tuned by controlling the thermal decomposition of Bi(NO3)3:5H2O, by using different calcination temperatures and cooling processes. Bi5O...
Poster
Full-text available
TiO2 anatase is a very promising photocatalyst and has been extensively studied. Transition metal ions doping not only affects the band gap, increases the optical absorption in visible range, but also leads to change in the oxidation state and redox potentials as well as structural parameters, which play a primary role in the photocatalytic activit...
Article
Full-text available
A highly uniform porous film of MnO2 was deposited on carbon fiber by anodic electrodeposition method for the fabrication of high-performance electrodes in wearable supercapacitors (SCs) application. The effects of potentiostatic and galvanostatic electrodeposition and the deposition time were investigated. The morphology, crystalline structure and...
Article
Free download: https://authors.elsevier.com/a/1VLYG_ZmXw99ur (up to August 27th, 2017) Photoelectrochemical (PEC) water splitting is one of the most promising technologies able to exploit renewable resources such as water and sunlight for the sustainable production of energy carriers (i.e. H2, solar fuels). Recently, it was demonstrated that the cu...
Article
Full-text available
Correction for ‘Core-substituted naphthalenediimides anchored on BiVO4 for visible light-driven water splitting’ by Simelys Hernández et al., Green Chem., 2017, 19, 2448–2462.
Article
Full-text available
Miniaturized cells can be used in photo-electrochemistry to perform water splitting. The geometry, process variables and removal of oxygen bubbles in these cells need to be optimized. Bubbles tend to remain attached to the catalytic surface, thus blocking the reaction, and they therefore need to be dragged out of the cell. Computational Fluid Dynam...
Article
We have developed a mathematical model able to predict the dependence of the current density, j0, in the dc limit, on the thickness of a photoactive semiconductor layer, d, in contact with an electrolyte. The model considers the application of an external bias. The theoretical analysis has been done by means of a diffusive model, where the excess o...
Article
BioRobur is a project aimed to produce hydrogen from biogas through an auto-thermal reforming (ATR) process, in which innovative catalytic systems are used to promote the ATR reactions involved in the process for the conversion of biogas into syngas. A detailed LCA study of hydrogen production from biogas ATR using the BioRobur technology has been...
Article
Full-text available
Photoelectrochemical (PEC) water splitting, which is a type of artificial photosynthesis, is a sustainable way of converting solar energy into chemical energy. The water oxidation half-reaction has always represented the bottleneck of this process because of the thermodynamic and kinetic challenges that are involved. Several materials have been exp...
Article
In this work, a novel catalytic system for the sunlight-driven water splitting, which exploits the photocatalytic ability of BiVO4 coupled to a new kind of noble-metal-free organic dye molecules, is proposed. Hence, mono- and di-substituted naphtalenediimides (NDIs), were designed to have different functional groups that provide to them both tunabl...
Article
The CO2 that comes from the use of fossil fuels accounts for about 65% of the global greenhouse gases emissions, and it plays a critical role in global climate changes. Among the different strategies that have been considered to address the storage and reutilization of CO2, the transformation of CO2 into chemicals or fuels with a high added-value h...
Chapter
Lead-free (K0.5 Na0.5)NbO3 (KNN) thin films were fabricated on FTO substrate using spin coating technique. Two types of additives were used to fabricate KNN thin films. The effect of different calcination temperatures on the structural and morphological properties of the KNN films was investigated by X-ray diffraction, scanning electron microscopy...
Article
Carbon dioxide (CO2) is considered one of the main contributors to the greenhouse effect and is currently a key challenge throughout the world. Therefore, the CO2 complications associated with the environment have in particular been focused on in this review, and various strategies regarding CO2 mitigation, or the utilization of different technolog...
Article
The Ru(bpy)3]²⁺/persulfate photosystem is the most common dye/sacrificial reagent pair used to study the catalyzed water oxidation half-reaction. Recently, we developed a bubbling reactor along with its modelling, and we used it with the aforementioned photosystem to measure the actual rate of reaction (RO2) over time. In the present work, the same...